ChemSpider 2D Image | 8,8'-{Carbonylbis[imino(4-methyl-3,1-phenylene)carbonylimino-3,1-phenylenecarbonylimino]}di(1,3,5-naphthalenetrisulfonic acid) | C51H40N6O23S6

8,8'-{Carbonylbis[imino(4-methyl-3,1-phenylene)carbonylimino-3,1-phenylenecarbonylimino]}di(1,3,5-naphthalenetrisulfonic acid)

  • Molecular FormulaC51H40N6O23S6
  • Average mass1297.280 Da
  • Monoisotopic mass1296.046875 Da
  • ChemSpider ID397654

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,3,5-Naphthalenetrisulfonic acid, 8,8'-[carbonylbis[imino(4-methyl-3,1-phenylene)carbonylimino-3,1-phenylenecarbonylimino]]bis- [ACD/Index Name]
8,8'-{Carbonylbis[imino(4-methyl-3,1-phenylen)carbonylimino-3,1-phenylencarbonylimino]}di(1,3,5-naphthalintrisulfonsäure) [German] [ACD/IUPAC Name]
8,8'-{Carbonylbis[imino(4-methyl-3,1-phenylene)carbonylimino-3,1-phenylenecarbonylimino]}di(1,3,5-naphthalenetrisulfonic acid) [ACD/IUPAC Name]
Acide 8,8'-{carbonylbis[imino(4-méthyl-3,1-phénylène)carbonylimino-3,1-phénylènecarbonylimino]}di(1,3,5-naphtalènetrisulfonique) [French] [ACD/IUPAC Name]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS000161 [DBID]
AIDS-000161 [DBID]
NF 213 [DBID] [NF]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.777
Molar Refractivity: 302.4±0.4 cm3
#H bond acceptors: 29
#H bond donors: 12
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 2.19
ACD/LogD (pH 5.5): -12.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 534 Å2
Polarizability: 119.9±0.5 10-24cm3
Surface Tension: 105.6±3.0 dyne/cm
Molar Volume: 722.8±3.0 cm3

Click to predict properties on the Chemicalize site






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